| 8:57:55 AM PDT - Thu, May 31st 2012 |
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Hi Yongjin,
Couple of things after reviewing the info:
1. NWChem did not compile in any Infiniband information. It looks like this comes from the OpenMPI itself.
2. What is the network between your nodes in your cluster? There must be some network. The OpenMPI installation suggest it has IB. You may verify this.
3. If you want to compile over sockets, you should not specify any MPI variables when compiling. Instead of starting the job with mpirun you will have to use the parallel.x command to run the code in parallel.
4. When you want to compile with MPI, you should not set the ARMCI_NETWORK to SOCKETS. You should not set this at all (see the compile instructions on the NWChem web page).
Bert
Quote:Yjleedaniel May 31st 6:55 amI just send you the make.log file and environment setup scripts.
Thank you. |